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AtomLabels

是 MoleculePlot 和 MoleculePlot3D 的一个选项，指定原子应该使用什么标签及标签的位置.

更多信息
Details and Options Details and Options
范例  
基本范例  
范围  
标签的规范  
标签的放置  
参见
相关指南
历史
按以下格式引用：

AtomLabels

AtomLabels

是 MoleculePlot 和 MoleculePlot3D 的一个选项，指定原子应该使用什么标签及标签的位置.

更多信息

  • 可使用以下选项设置：
  • None不使用原子标签
    All总是使用原子标签
    Automatic自动标注原子
    "AtomIndex"用原子索引作为标签
    "AtomChirality"用原子手性作为标签
    MoleculeProperty[…]原子的分子属性
    EntityProperty["Element",…]元素属性
    {a1lbl1,a2lbl2,…}用 lbli 等标注原子 ai
    {patt1lbl1,patt2lbl2,…}用 lbli 标注与模式 patti 匹配的原子
  • 可将任意表达式用作标签.
  • 用 MoleculeValue["Properties"]["AtomProperties"] 列出用于标记的原子属性.
  • Placed[lbl,pos] 可用于将标签放置在相对于顶点框的位置：
  • Tooltip, StatusArea鼠标悬停时显示为工具条或在状态区域内显示
    Center将标签放置在原子的中心位置
    Before,After,Below,Above将标签放在外面，放在前面、后面等
    Left,Right,Bottom,Top将标签放在里面，放在左面、右面等
    {Before,Below},{After,Below},…将标签放在外面的边角处，放在前下角等
    {Left,Bottom},{Right,Bottom},…将标签放在里面的边角处，放在左下角等
    {{vx,vy},{lx,ly}}原子的缩放位置 {vx,vy} 处的标签中的缩放位置 {lx,ly}

范例

打开所有单元 关闭所有单元

基本范例  (4)

用索引标注所有原子：

Wolfram Language code: MoleculePlot[Molecule["water"], AtomLabels -> "AtomIndex"]

逐个标注原子：

Wolfram Language code: MoleculePlot[Molecule["water"], AtomLabels -> Table[i -> Subscript[a, i], {i, 3}]]

逐个标注原子：

Wolfram Language code: MoleculePlot[Molecule["water"], AtomLabels -> {1 -> [image], 2 -> [image], 3 -> Sin[x]}]

标注手性原子：

Wolfram Language code: MoleculePlot[Molecule["(2S,3S,4R)-3-(carboxymethyl)-4-(2-methoxyphenyl)pyrrolidine-2-carboxylic acid"], AtomLabels -> "AtomChirality"]

范围  (4)

标签的规范  (1)

利用模式仅在特定原子上放置标签：

Wolfram Language code: MoleculePlot[Molecule[{"Cl", "C", "C", "C", "C", "C", "Br", "C", "H", "H", "H", "H"}, {Bond[{1, 2}, "Single"], Bond[{2, 3}, "Aromatic"], Bond[{3, 4}, "Aromatic"], Bond[{4, 5}, "Aromatic"], Bond[{5, 6}, "Aromatic"], Bond[{6, 7}, "Single"], Bond[{6, 8}, "Aromatic"], Bond[{8, 2}, "Aromatic"], Bond[{3, 9}, "Single"], Bond[{4, 10}, "Single"], Bond[{5, 11}, "Single"], Bond[{8, 12}, "Single"]}, {}], AtomLabels -> {Atom["Cl" | "Br"] -> "AtomIndex"}]

用多个模式指定不同的标签：

Wolfram Language code: MoleculePlot[Molecule[{"C", "C", "C", "C", "C", "C", "N", "C", "C", "C", Atom["N", "HydrogenCount" -> 1], "C", "C", "C", "N", "C", "C", "C", "C", "C", Atom["N", "HydrogenCount" -> 1], "C", "C", "C", "C", "C", "O", "O", "C", "C", "C", "C", "C", "O", "O", " ... d[{44, 45}, "Single"], Bond[{45, 46}, "Single"], Bond[{46, 47}, "Double"], Bond[{46, 48}, "Single"], Bond[{19, 3}, "Aromatic"], Bond[{21, 4}, "Aromatic"], Bond[{42, 6}, "Single"], Bond[{31, 10}, "Aromatic"], Bond[{23, 14}, "Single"]}, {}], AtomLabels -> {Atom["RingAtomQ" -> True] -> EntityProperty["Element", "ElectronCount"], Atom["O"] -> MoleculeProperty["OrbitalHybridization"]}]

标签的放置  (3)

将 Placed 与符号位置一起使用来控制标签的放置，包括外面的位置：

Wolfram Language code: MoleculePlot["water", AtomLabels -> Placed["AtomIndex", #], PlotLabel -> #]& /@ {Above, Below, Before, After, Automatic}

将标签放置在用符号表明的外面的边角位置：

Wolfram Language code: pl = {{Before, Below}, {After, Below}, {Before, Above}, {After, Above}};
Wolfram Language code: Table[ MoleculePlot["water", AtomLabels -> Table[i -> Placed[[image], p], {i, 3}], PlotLabel -> p] , {p, pl}]

将标签放置在用符号表明的里面的位置：

Wolfram Language code: Table[ MoleculePlot3D["water", AtomLabels -> Table[i -> Placed[[image], p], {i, 3}], PlotLabel -> p] , {p, {Left, Top, Right, Bottom}}]
Wolfram Research (2021)，AtomLabels，Wolfram 语言函数，https://reference.wolfram.com/language/ref/AtomLabels.html.

文本

Wolfram Research (2021)，AtomLabels，Wolfram 语言函数，https://reference.wolfram.com/language/ref/AtomLabels.html.

CMS

Wolfram 语言. 2021. "AtomLabels." Wolfram 语言与系统参考资料中心. Wolfram Research. https://reference.wolfram.com/language/ref/AtomLabels.html.

APA

Wolfram 语言. (2021). AtomLabels. Wolfram 语言与系统参考资料中心. 追溯自 https://reference.wolfram.com/language/ref/AtomLabels.html 年

BibTeX

@misc{reference.wolfram_2026_atomlabels, author="Wolfram Research", title="{AtomLabels}", year="2021", howpublished="\url{https://reference.wolfram.com/language/ref/AtomLabels.html}", note=[Accessed: 15-August-2026]}

BibLaTeX

@online{reference.wolfram_2026_atomlabels, organization={Wolfram Research}, title={AtomLabels}, year={2021}, url={https://reference.wolfram.com/language/ref/AtomLabels.html}, note=[Accessed: 15-August-2026]}